2-(3-methylbut-2-enylsulfanyl)ethanamine

C7H15NS — CID 24700698

IUPAC2-(3-methylbut-2-enylsulfanyl)ethanamine
SMILESCC(C)=CCSCCN
InChIInChI=1S/C7H15NS/c1-7(2)3-5-9-6-4-8/h3H,4-6,8H2,1-2H3
InChIKeySDHASIPKERVOKH-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.64
Rot. Bonds4

About 2-(3-methylbut-2-enylsulfanyl)ethanamine

2-(3-methylbut-2-enylsulfanyl)ethanamine (PubChem CID 24700698) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-(3-methylbut-2-enylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylbut-2-enylsulfanyl)ethanamine
PubChem CID24700698
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-(3-methylbut-2-enylsulfanyl)ethanamine
SMILESCC(C)=CCSCCN
InChIInChI=1S/C7H15NS/c1-7(2)3-5-9-6-4-8/h3H,4-6,8H2,1-2H3
InChIKeySDHASIPKERVOKH-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enylsulfanyl)ethanamine?
The IUPAC name of 2-(3-methylbut-2-enylsulfanyl)ethanamine (CID 24700698) is 2-(3-methylbut-2-enylsulfanyl)ethanamine.
What is the SMILES notation for 2-(3-methylbut-2-enylsulfanyl)ethanamine?
The canonical SMILES for 2-(3-methylbut-2-enylsulfanyl)ethanamine is CC(C)=CCSCCN.
What is the InChIKey of 2-(3-methylbut-2-enylsulfanyl)ethanamine?
The InChIKey is SDHASIPKERVOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(2)3-5-9-6-4-8/h3H,4-6,8H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enylsulfanyl)ethanamine?
2-(3-methylbut-2-enylsulfanyl)ethanamine has a molecular weight of 145.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enylsulfanyl)ethanamine is sourced from PubChem (CID 24700698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).